基本信息
- 标准SMILES
CCCCCN- InChIKey
DPBLXKKOBLCELK-UHFFFAOYSA-N- 分子式
- C5H13N
- 平均分子量
- 87.16 g/mol
- 单同位素质量
- 87.10479942
概述
N-amylamine appears as a clear colorless liquid with an ammonia-like odor. Irritates the eyes and respiratory system. Vapors are heavier than air. Produces toxic oxides of nitrogen during combustion. Used as a corrosion inhibitor, solvent, flotation agent and in the manufacture of other chemicals.
名称与标识
- 首选名称
- Pentylamine
- IUPAC
- pentan-1-amine
- 中文名
- 1-氨基戊烷
- 英文名
- Amylamine
- 分子式
- C5H13N
- 分子量
- 87.16
名称与别名
AmylaminePentylamine110-58-7pentan-1-amine1-Aminopentane1-PentylamineN-AMYLAMINE1-Pentanaminen-PentylamineMonoamylamineNorleucamineE05QM3V8EF
展开更多名称
戊胺胺戊烷正戊胺正戊基胺1-戊胺n-戊胺一正戊胺1-氨基戊烷正戊胺 危险品地夸磷索杂质9PentylaminAMYLAMINESAmylaminAMINE C5
NSC-7906DTXSID0021919FEMA NO. 4242CHEBI:74848RefChem:171523DTXCID801919203-780-2932-628-4
数据库标识
- CAS
110-58-7- PubChem CID
- 8060
- DTXSID
DTXSID0021919- ChEBI
CHEBI:74848- UNII
- E05QM3V8EF
- EC Number
- 203-780-2、932-628-4、935-734-9
- Nikkaji
- J1.978J
性质
结构计算性质
- XLogP
- 1.5
- 极性表面积
- 26 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 3
- 重原子
- 6
- 形式电荷
- 0
- 复杂度
- 19.9
实验与物化性质
Chemical Classes
Nitrogen Compounds -> Amines, Aliphatic
Corrosives
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesBoiling point
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
0.7547 (NTP, 1992) - Less dense than water; will float
0.750-0.759
Flavoring AgentsEU Flavoring substances
Solubility
Very soluble (NTP, 1992)
Soluble in water
Soluble (in ethanol)
Flash Point45 °F (NTP, 1992)
Boiling Point
219.9 °F at 760 mmHg (NTP, 1992)
103 °C
Melting Point-67 to -58 °F (NTP, 1992)
Vapor Density3.01 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure91.0 [mmHg]
物理化学性质
- 熔点
- 55 °C · −55 °C(lit.)
- 沸点
- 104 °C · 104 °C(lit.)
- 密度
- 0.752 g/mL · 0.752 g/mL at 25 °C(lit.)
- 蒸气密度
- 3.01 · 3.01 (vs air)
- 蒸气压
- 120.9 hPa · 120.9 hPa (47 °C)
- 折射率
- 20 · n20/D 1.411(lit.)
- FEMA
- 4242 · 4242 | PENTYLAMINE
- 闪点
- 42 °F · 42 °F
- 储存条件
- Flammables area
- 溶解度
- Soluble in alcohol, ether.
- 酸度系数(pKa)
- 10.63 · 10.63(at 25℃)
- 形态
- Liquid
- 颜色
- Clear colorless to very slightly yellow
- 气味 (Odor)
- 0.1 % · at 0.10 % in propylene glycol. ammoniacal fishy
- 香型
- fishy
- 生物来源
- synthetic
- 爆炸极限值(explosive limit)
- 2.2 · 2.2-22%(V)
- 水溶解性
- soluble
- 比热容
- 2.5 J/ · Cp(liquid): 2.5 J/(g·K), at 25℃
- 敏感性
- Air Sensitive
- Merck
- 14 · 14,598
- JECFA Number
- 1585 · 1585
- BRN
- 505953 · 505953
- Henry's Law Constant
- 4.3 · 4.3×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
- 介电常数
- 4.6 · 4.6(22℃)
- 主要应用
- flavors and fragrances
- InChI
- 1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3
- InChIKey
- DPBLXKKOBLCELK-UHFFFAOYSA-N
- SMILES
- CCCCCN
- LogP
- 1.49 · 1.49
- CAS 数据库
- 110 · 110-58-7(CAS DataBase Reference)
- NIST化学物质信息
- 1 · 1-Pentanamine(110-58-7)
- EPA化学物质信息
- Amylamine (110-58-7)
化学性质
1-氨基戊烷为无色液体，有氨味。熔点-55℃，沸点104℃，相对密度（20/4℃）0.7547，折射率（20℃）1.4118，粘度（20℃）1.018mPa·s，闪点（开杯）7℃。能与水、甲醇、丙酮、乙醚、脂肪烃、苯等混溶。具有伯胺的化学反应性质，水溶液呈碱性。对氧化剂不稳定，在活性炭存在下能被过氧化氢水溶液分解。见光分解。
安全与法规
GHS分类
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 171 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
危害信息
Regulatory Information
Chemical: 1-Pentanamine
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 09-02-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/11243
Amylamine: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid Corrosive
Fire Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· May cause toxic effects if inhaled or ingested.
Hazards Summary
Corrosive to skin; [Quick CPC] A severe irritant; [NTP] Safe when used as a flavoring agent in food; [JECFA] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS]
DOT ID and Guide1106 132
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity AlertsHighly Flammable
Reactivity Profile
N-AMYLAMINE is an amine. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Can react with oxidizing materials. [NTP 1992].
Air and Water ReactionsHighly flammable. Less dense than water and soluble in water.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flam. Liq. 2 (100%)
Flam. Liq. 2 (100%)
Corrosives, Flammable agents - 3rd degree
Lower Explosive Limit (LEL)
2.2 % (NTP, 1992)
22000 [ppm]
安全与防护
Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Isolation and Evacuation
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Immediate precautionary measure
Protective Action Criteria (PAC)
1.3 [mg/m3]
14 [mg/m3]
86 [mg/m3]
Personal Protective Equipment (PPE)Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Emergency Response Planning Guidelines· Some of these materials may react violently with water.
毒理信息
Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLCLo (rat) = 2,000 ppm/4hr
安全数据
- F
- 34
- wgk
- 3
- tsca
- TSCA listed
- 毒性
- LD50 orally in Rabbit: 470 mg/kg LD50 dermal Rabbit 1120 mg/kg
- RTECS号
- SC0300000
- 包装类别
- II
- 危险等级
- 3
- 存储类别
- 3 - Flammable liquids
- 安全说明
- 16-26-36/37/39-45-33-61
- 海关编码
- 29211990
- 自燃温度
- 305 °C
- 危险品标志
- F,C
- 危险性类别
- Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 2Skin Corr. 1B
- 危险类别码
- 11-22-34-42/43-20/21/22-52/53
- 危险品运输编号
- UN 1106 3/PG II/III (AMYLAMINE)
毒性防护
急性毒性腹腔- 小鼠 LDL0: 37.5 毫克/ 公斤
包装储运
爆炸物危险特性与空气混合可爆
可燃性危险特性遇明火、高温、氧化剂易燃; 燃烧产生有毒氮氧化物烟雾
储运特性库房通风低温干燥; 与氧化剂、酸类分开存放
灭火剂干粉、干砂、二氧化碳、泡沫
化学与工业
用途与制造
UsesUsed as a chemical intermediate, solvent, gasoline additive, and in corrosion inhibitors, dyestuffs, flotation agents, rubber chemicals, insecticides, and pharmaceuticals; [NTP]
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1-Pentanamine: ACTIVE
应用领域
用途1-氨基戊烷用于医药、染料、乳化剂、防腐蚀剂、浮选剂、橡胶硫化促进剂等方面。
用途用于医药、乳化剂、抗氧化剂、橡胶硫化剂等。
用途抗氧剂。化学中间体。乳化剂。防腐剂。橡胶硫化促进剂。杀虫剂。合成洗涤剂。浮选剂。汽油添加剂。药物
用途用于有机合成. 用于医药、乳化剂、抗氧化剂、橡胶硫化剂等。
制备方法
生产方法在催化剂存在下以叠氮钠和己酸反应，经碱中和后，水蒸气蒸馏，馏出物用乙醚萃取，萃取液经精馏精制后得产品。
上下游产品信息
上游原料
下游产品
试剂价格
- A11674 · 500g
- 1-戊胺, 98%1-Pentylamine, 98% — 3941元
- 17394 · 5ml
- N-戊胺，99%n-Amylamine, 99%, Thermo Scientific Chemicals — 384元
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